UCSF

ZINC02600092

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 13 No

Popular Name: 3-FLUORO-5-(TRIFLUOROMETHYL)BENZYL BROMIDE 3-FLUORO-5-(TRIFLUOROMETHYL)BENZ…

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CAS Number: 239087-09-3

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.63 6.95 -3.42 0 0 0 0 257.024 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 43?/1mm Alfa-Aesar
BP 43°/1mm Matrix Scientific
Purity 98% Matrix Scientific
Warnings Corrosive/Lachrymator Matrix Scientific
Warnings LACHRYMATOR, CORROSIVE Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.